2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate

C23H26O10 — CID 15680274

IUPAC2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate
SMILESCOCCOC(=O)c1cc(OC)c(OC)cc1-c1c(C(=O)OCCOC)ccc2c1OCO2
InChIInChI=1S/C23H26O10/c1-26-7-9-30-22(24)14-5-6-17-21(33-13-32-17)20(14)15-11-18(28-3)19(29-4)12-16(15)23(25)31-10-8-27-2/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyBTMXSEJBJZVVHS-UHFFFAOYSA-N
MW462.45 g/mol
LogP2.71
Rot. Bonds11

About 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate

2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate (PubChem CID 15680274) has the molecular formula C23H26O10 and a molecular weight of 462.45 g/mol. Its IUPAC name is 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate
PubChem CID15680274
Molecular FormulaC23H26O10
Molecular Weight462.45 g/mol
Exact Mass462.15
IUPAC Name2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate
SMILESCOCCOC(=O)c1cc(OC)c(OC)cc1-c1c(C(=O)OCCOC)ccc2c1OCO2
InChIInChI=1S/C23H26O10/c1-26-7-9-30-22(24)14-5-6-17-21(33-13-32-17)20(14)15-11-18(28-3)19(29-4)12-16(15)23(25)31-10-8-27-2/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyBTMXSEJBJZVVHS-UHFFFAOYSA-N
XLogP2.71
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide
CID 3074361
(4-bromo-1,3-benzodioxol-5-yl)-(6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone
CID 10554883
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335947
9,10-dimethoxynaphtho[2,1-g][1,3]benzodioxole-7-carboxylic acid
CID 141238294
2-amino-1-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]ethanone
CID 117319352
2-(5-methoxy-1,3-benzodioxol-4-yl)-2-oxoacetic acid
CID 117321217
5-(5-methoxy-1,3-benzodioxol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117411816
4-(5-methoxy-1,3-benzodioxol-4-yl)butanoic acid
CID 117348701
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2637857
methyl 7-methoxy-1,3-benzodioxole-4-carboxylate
CID 19967040
methyl 7-methoxy-4-[7-methoxy-5-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 175675443
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-2-methoxybenzoate
CID 50929778

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate (CID 15680274) is 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate is COCCOC(=O)c1cc(OC)c(OC)cc1-c1c(C(=O)OCCOC)ccc2c1OCO2.
What is the InChIKey of 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate?
The InChIKey is BTMXSEJBJZVVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O10/c1-26-7-9-30-22(24)14-5-6-17-21(33-13-32-17)20(14)15-11-18(28-3)19(29-4)12-16(15)23(25)31-10-8-27-2/h5-6,11-12H,7-10,13H2,1-4H3.
What are the key properties of 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate?
2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate has a molecular weight of 462.45 g/mol, XLogP of 2.71, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[4,5-dimethoxy-2-(2-methoxyethoxycarbonyl)phenyl]-1,3-benzodioxole-5-carboxylate is sourced from PubChem (CID 15680274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).